SCHEMBL28055564

SCHEMBL28055564

O=C(O)Cc1ccc2cccc3c4cccc5cccc(c1c23)c54

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GLA P06280 2/20 0.47
POLB P06746 2/20 0.47
CYP2D6 P10635 1/20 0.47
THRB P10828 2/20 0.45
GAA P10253 2/20 0.44
AKR1B1 P15121 3/20 0.40
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
MAPT P10636 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22534139 0.84 TDP1 (0.62) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL31515161 0.84 TDP1 (0.62) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL29521196 0.82 KMT2A (0.68) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL1275568 0.82 KMT2A (0.68) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL2806261 0.82 KMT2A (0.72) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL27498191 0.81 TDP1 (0.73) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL1258034 0.80 ALDH1A1 (0.54) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL22493918 0.79 TDP1 (0.56) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL21617918 0.79 TDP1 (0.64) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL4634463 0.79 KMT2A (0.67) KMT2AMEN1KDM4EALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105421097-B A kind of dyeing and finishing processing method of acetate fiber/polyester fibre containing textile 上海雅运纺织助剂有限公司 2017-11-28 CN disclosed
CN-105421097-A Dyeing and finishing processing method of acetate fiber/polyester fiber blended fabric ARGUS (SHANGHAI) TEXTILE AUX CO LTD 2016-03-23 CN disclosed